In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 22 | Yes |
Popular Name: 4-[2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one 4-[2-[(2R)-2-(3-fluorophenyl)pyr…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.29 | 5.31 | -40.35 | 2 | 5 | 1 | 54 | 306.361 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.15 | -10.58 | 1 | 5 | 0 | 53 | 305.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.